Studies on antibacterial and antiviral compounds from aster tartaricus by computer simulated screening

To study the antibacterial and antiviral compounds from Aster tartaricus L.by the computer simulation method,molecular docking was applied to simulate the interactions between 3D structures of-Aster tartaricus and enzymes which were key to synthesis of viruses and bacteria.The results showed that: molecular docking could be carried out by Flex/Run mutiligand module of the software package Sybyl 7.0.According to the dock score,eight molecules were screened.Conclusion Molecular docking method is simple,speedy and scientific,which can be used to screen the characteristic chemical compounds of the Veterinary medicine.